mp-560019/K2Ge3B2O10/harm

Harmonic properties

../../_images/fig_bandos_pr7734.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10853.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7734.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27497.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times13645.png

(a) Computation time